2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide

C15H20FNO3 — CID 115679511

IUPAC2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F
InChIInChI=1S/C15H20FNO3/c1-4-5-8-17-15(19)11(3)20-14-7-6-12(10(2)18)9-13(14)16/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyJHSFHGOYLXLPKB-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.71
Rot. Bonds7

About 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide

2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide (PubChem CID 115679511) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
PubChem CID115679511
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F
InChIInChI=1S/C15H20FNO3/c1-4-5-8-17-15(19)11(3)20-14-7-6-12(10(2)18)9-13(14)16/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyJHSFHGOYLXLPKB-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-2-fluorophenoxy)-N-propylpropanamide
CID 112699627
N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
1-(3-fluoro-4-pentan-2-yloxyphenyl)ethanone
CID 21105303
2-(4-amino-2,5-difluorophenoxy)-N-pentylpropanamide
CID 63598119
4-[1-(butylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43113701
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[2-(aminomethyl)-4-methylphenoxy]-N-butylpropanamide
CID 63322427
3-methyl-4-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid
CID 107673696
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
1-[4-(1-ethoxypropan-2-yloxy)-3-fluorophenyl]ethanone
CID 103488725

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide (CID 115679511) is 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide is CCCCNC(=O)C(C)Oc1ccc(C(C)=O)cc1F.
What is the InChIKey of 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide?
The InChIKey is JHSFHGOYLXLPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-4-5-8-17-15(19)11(3)20-14-7-6-12(10(2)18)9-13(14)16/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide?
2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenoxy)-N-butylpropanamide is sourced from PubChem (CID 115679511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).